| 89 |
|
" --tet_param_z spatially-resolved tetrahedrality order \n parameter Qk(z)", |
| 90 |
|
" --rnemdz slab-resolved RNEMD statistics (temperature, \n density, velocity)", |
| 91 |
|
" --rnemdr shell-resolved RNEMD statistics (temperature, \n density, angular velocity)", |
| 92 |
+ |
" --rnemdrt shell and angle-resolved RNEMD statistics \n (temperature, density, angular velocity)", |
| 93 |
|
0 |
| 94 |
|
}; |
| 95 |
|
|
| 169 |
|
args_info->tet_param_z_given = 0 ; |
| 170 |
|
args_info->rnemdz_given = 0 ; |
| 171 |
|
args_info->rnemdr_given = 0 ; |
| 172 |
+ |
args_info->rnemdrt_given = 0 ; |
| 173 |
|
args_info->staticProps_group_counter = 0 ; |
| 174 |
|
} |
| 175 |
|
|
| 275 |
|
args_info->tet_param_z_help = gengetopt_args_info_help[50] ; |
| 276 |
|
args_info->rnemdz_help = gengetopt_args_info_help[51] ; |
| 277 |
|
args_info->rnemdr_help = gengetopt_args_info_help[52] ; |
| 278 |
+ |
args_info->rnemdrt_help = gengetopt_args_info_help[53] ; |
| 279 |
|
|
| 280 |
|
} |
| 281 |
|
|
| 529 |
|
write_into_file(outfile, "rnemdz", 0, 0 ); |
| 530 |
|
if (args_info->rnemdr_given) |
| 531 |
|
write_into_file(outfile, "rnemdr", 0, 0 ); |
| 532 |
+ |
if (args_info->rnemdrt_given) |
| 533 |
+ |
write_into_file(outfile, "rnemdrt", 0, 0 ); |
| 534 |
|
|
| 535 |
|
|
| 536 |
|
i = EXIT_SUCCESS; |
| 611 |
|
args_info->tet_param_z_given = 0 ; |
| 612 |
|
args_info->rnemdz_given = 0 ; |
| 613 |
|
args_info->rnemdr_given = 0 ; |
| 614 |
+ |
args_info->rnemdrt_given = 0 ; |
| 615 |
|
|
| 616 |
|
args_info->staticProps_group_counter = 0; |
| 617 |
|
} |
| 909 |
|
{ "tet_param_z", 0, NULL, 0 }, |
| 910 |
|
{ "rnemdz", 0, NULL, 0 }, |
| 911 |
|
{ "rnemdr", 0, NULL, 0 }, |
| 912 |
+ |
{ "rnemdrt", 0, NULL, 0 }, |
| 913 |
|
{ 0, 0, 0, 0 } |
| 914 |
|
}; |
| 915 |
|
|
| 1680 |
|
&(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO, |
| 1681 |
|
check_ambiguity, override, 0, 0, |
| 1682 |
|
"rnemdr", '-', |
| 1683 |
+ |
additional_error)) |
| 1684 |
+ |
goto failure; |
| 1685 |
+ |
|
| 1686 |
+ |
} |
| 1687 |
+ |
/* shell and angle-resolved RNEMD statistics (temperature, density, angular velocity). */ |
| 1688 |
+ |
else if (strcmp (long_options[option_index].name, "rnemdrt") == 0) |
| 1689 |
+ |
{ |
| 1690 |
+ |
|
| 1691 |
+ |
if (args_info->staticProps_group_counter && override) |
| 1692 |
+ |
reset_group_staticProps (args_info); |
| 1693 |
+ |
args_info->staticProps_group_counter += 1; |
| 1694 |
+ |
|
| 1695 |
+ |
if (update_arg( 0 , |
| 1696 |
+ |
0 , &(args_info->rnemdrt_given), |
| 1697 |
+ |
&(local_args_info.rnemdrt_given), optarg, 0, 0, ARG_NO, |
| 1698 |
+ |
check_ambiguity, override, 0, 0, |
| 1699 |
+ |
"rnemdrt", '-', |
| 1700 |
|
additional_error)) |
| 1701 |
|
goto failure; |
| 1702 |
|
|